trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate

C13H26O3Si2 — CID 6430472

IUPACtrimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate
SMILESC=C(C/C(C)=C/C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H26O3Si2/c1-11(9-12(2)15-17(3,4)5)10-13(14)16-18(6,7)8/h10H,2,9H2,1,3-8H3/b11-10+
InChIKeyUDLFOGZQPIYHEL-ZHACJKMWSA-N
MW286.52 g/mol
LogP4.07
Rot. Bonds6

About trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate

trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate (PubChem CID 6430472) has the molecular formula C13H26O3Si2 and a molecular weight of 286.52 g/mol. Its IUPAC name is trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate.

Molecular Properties

Compound Nametrimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate
PubChem CID6430472
Molecular FormulaC13H26O3Si2
Molecular Weight286.52 g/mol
Exact Mass286.14
IUPAC Nametrimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate
SMILESC=C(C/C(C)=C/C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H26O3Si2/c1-11(9-12(2)15-17(3,4)5)10-13(14)16-18(6,7)8/h10H,2,9H2,1,3-8H3/b11-10+
InChIKeyUDLFOGZQPIYHEL-ZHACJKMWSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate?
The IUPAC name of trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate (CID 6430472) is trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate.
What is the SMILES notation for trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate?
The canonical SMILES for trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate is C=C(C/C(C)=C/C(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate?
The InChIKey is UDLFOGZQPIYHEL-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H26O3Si2/c1-11(9-12(2)15-17(3,4)5)10-13(14)16-18(6,7)8/h10H,2,9H2,1,3-8H3/b11-10+.
What are the key properties of trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate?
trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate has a molecular weight of 286.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2E)-3-methyl-5-trimethylsilyloxyhexa-2,5-dienoate is sourced from PubChem (CID 6430472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).